{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.60665 2.271209 0.858315 ] [ 1.14021 1.706761 3.269891 ] [ 0.6855745 3.746661 2.498398 ] [ 2.590166 5.193842 1.980174 ] [ 3.090456 3.322533 2.927067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60665e-10 2.271209e-10 8.58315e-11 ] [ 1.14021e-10 1.706761e-10 3.269891e-10 ] [ 6.855745e-11 3.746661e-10 2.498398e-10 ] [ 2.590166e-10 5.193842e-10 1.980174e-10 ] [ 3.090456e-10 3.322533e-10 2.927067e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5667429 4.1754634 4.4624923 ] [ -0.8049749 3.3181007 -1.1216939 ] [ 4.1065459 -6.4378186 -3.792316 ] [ -1.465953 -0.363957 0.0488422 ] [ 0.7311249 -0.6917886 0.4026754 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.112375465984392e-09 6.689829840486079e-09 7.14970083356002e-09 ] [ -1.289711965110818e-09 5.316183367000115e-09 -1.797151742273973e-09 ] [ 6.579411833222096e-09 -1.031452244987139e-08 -6.075960033885773e-09 ] [ -2.348715623791623e-09 -5.831233963765056e-10 7.825383094843777e-11 ] [ 1.171391221664738e-09 -1.108367521455963e-09 6.451571116512883e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1347094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.828887976081996e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5455715 2.3280367 0.7749977 ] [ 1.0507867 1.7399169 3.3952728 ] [ 0.8131056 3.6803977 2.3669876 ] [ 2.460004 5.184294 2.0409054 ] [ 3.2435886 3.3083607 2.9556815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5455715e-10 2.3280367e-10 7.749977e-11 ] [ 1.0507867e-10 1.7399169e-10 3.3952728e-10 ] [ 8.131056e-11 3.6803977e-10 2.3669876e-10 ] [ 2.460004e-10 5.184294000000001e-10 2.0409054e-10 ] [ 3.2435886e-10 3.3083607e-10 2.9556815e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0880508 -0.4003914 -0.8194022 ] [ -0.331436 -0.2795044 0.6234528 ] [ 0.6267832 0.7256084 -0.2197017 ] [ 0.0445052 -1.778547 1.1761497 ] [ -0.2518015 1.7328344 -0.7604986 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.410729332027367e-10 -6.414977402493811e-10 -1.312827047872086e-09 ] [ -5.310190104914688e-10 -4.478154150907315e-10 9.988815003322983e-10 ] [ 1.004217389350211e-09 1.162552814336095e-09 -3.520009272900154e-10 ] [ 7.130519094402817e-11 -2.849546422393977e-09 1.884399551900934e-09 ] [ -4.034304763823712e-10 2.776306763397995e-09 -1.218453077071131e-09 ] ] } "relaxed-potential-energy" { "source-value" -7.704592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.234411717520271e-18 } }